N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-ethoxy-benzamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-ethoxy-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-ethoxy-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-4-ethoxybenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-ethoxybenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-ethoxy-benzamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C21H28N4O3/c1-2-27-18-9-7-17(8-10-18)21(26)22-11-14-28-20-15-19(23-16-24-20)25-12-5-3-4-6-13-25/h7-10,15-16H,2-6,11-14H2,1H3,(H,22,26)